OUR MODELS
We have developed an integrated approach which aids both the development of novel pharmaceutical drugs and the individualized treatment approach that is fast becoming a cornerstone of bio pharmaceutics.
By collecting physical and chemical compound properties and incorporating them into our modeling tools, we are able to construct detailed and accurate drug concentration profiles which can be used to determine the compound’s viability for continuing testing and development, with the end goal being – clinical trials and market release.
In addition, we can effectively use this approach to tailor the model for the individual patient in the clinical setting. By inputting the patient’s physical and pathological characteristics (ex: weight, age, respiratory, renal, hepatic, cardiovascular impairment) and combining them with known characteristics of the compound, we can personalize the dosing regimens in silico, translating into applicable clinical dosing strategies.
BENEFITS
One of the most remarkable benefits our products provide, is looking at the drug kinetics far ahead in the process of the development. Our clients can review and analyze drug kinetics profiles:
- Being administered into a body system via required administration methods and durations
- Being distributed throughout the body system and organ tissues via the circulatory system
- Being metabolized by various metabolic systems, both Phase I and Phase II: CYP450, renal, systemic metabolic enzyme systems and GIT
- Being cleared and eliminated
All the mentioned parameters of the pharmacokinetic parameters which are simulated and described in our systems, are created based on accurate incorporation of physiological principles and methodologies.
In turn, pathological states which influence each of the pharmacokinetic parameters are incorporated when necessary, to predict their influence on the distribution and behaviour of the compound upon administration into an affected patient.
As such, our models are designed to simulate drug kinetics under extreme internal and external states of bodily function. For example: hypoxia and hypoxemia as well as hyperbaric conditions in deep-sea diving, dehydration and metabolic diseases.
FUNCTIONAL MODEL DIAGRAM
The Principal Functional Model diagram displayed on Scheme 1 represents the Simulation Model (System) as a functional composition of interdependent non-linear sub-systems, displays the hierarchy of functional components as well as provides a high-level description of the simulation process workflow. This approach allows us to expand the model development in any direction depending on the customer’s demand and the project scope. Any component /sub-system can be modified or adapted based on functional requirements on macro or micro level(s).
At the beginning of the simulation process the Optimal Control System (OCS) applies initial control parameters in order to bring the whole System to stationary state. When the process is stabilized and the parameters of system are approaching stationary solutions the disturbances to the System are applied and a drug (or drugs) is possibly administered. Disturbances may vary in their origin and/or area of implementation; they can be external or internal to the System. Immediately the OCS defines and applies the new control parameters to the (possibly disturbed) External Respiratory System (ERS) and/or(also possibly disturbed) Blood Circulation System (BCS). New arterial blood parameters calculated by ERS are inputs to BCS. The arterial blood contains the drug and delivers it to the tissues where the drug is exchanged, utilized, cleared or administered. Drugs and gases diffuse in both directions: from the blood to tissues or vice versa. For some tissues the drug can go in, for others it can go out. After the blood leaves the tissues it is mixed in the vein. The venous system is another possible entry point for a drug administration or clearance. Again, control parameters are calculated and applied.
This flow is repeated until the simulation ends.
The model allows to calculate and automatically analyze various pharmacokinetics parameters. The decision to adjust the dosage or change the frequency/period of the drug administration can be made at any point in the process. Once the simulation is finished and all required analyses are made, the decision to promote this compound as a possible elite candidate might be made.
Scheme 1. Principal Functional Model Diagram.
NOTE: the Principal Functional Model diagram fairly describes the general approach majority of our the models are built on. Some additional modifications and/or development are possible.
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